CID 217432

38914-45-3

Structural Information

Molecular Formula
C16H25NOS
SMILES
CC(C)C1=CC=CC=C1OCCCCN2CCSC2
InChI
InChI=1S/C16H25NOS/c1-14(2)15-7-3-4-8-16(15)18-11-6-5-9-17-10-12-19-13-17/h3-4,7-8,14H,5-6,9-13H2,1-2H3
InChIKey
KCTRREVAPRUKIX-UHFFFAOYSA-N
Compound name
3-[4-(2-propan-2-ylphenoxy)butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16568 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17296 168.1
[M+Na]+ 302.15490 172.9
[M-H]- 278.15840 172.5
[M+NH4]+ 297.19950 185.1
[M+K]+ 318.12884 169.4
[M+H-H2O]+ 262.16294 160.3
[M+HCOO]- 324.16388 182.6
[M+CH3COO]- 338.17953 198.9
[M+Na-2H]- 300.14035 165.6
[M]+ 279.16513 170.0
[M]- 279.16623 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.